(1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-7,9-diene
PubChem CID: 101593495
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ZQMYLSWMANINAL-KKUMJFAQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | (1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-7,9-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-7,9-diene |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.2666134 |
| Inchi | InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7-9,11,13-14H,5-6,10H2,1-4H3/t13-,14-,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@H]([C@@]12CC=C(C=C2)C)C(C)C |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24 |
- 1. Outgoing r'ship
FOUND_INto/from Agrostophyllum Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Aucheri (Plant) Rel Props:Source_db:cmaup_ingredients